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Chemical ID: 7207412
Chemical ID:
7207412
Name [?]:
N-[(5-bromo-2-hydroxy-3-methoxy-phenyl)methyleneamino]-N'-(2-chlorophenyl)-oxamide
SMILES [?]:
COc1cc(cc(c1O)C=NNC(=O)C(=O)Nc2ccccc2Cl)Br
InChi [?]:
InChI=1/C16H13BrClN3O4/c1-25-13-7-10(17)6-9(14(13)22)8-19-21-16(24)15(23)20-12-5-3-2-4-11(12)18/h2-8,22H,1H3,(H,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,6,4,10,7,5,23,18,3,8,15,13,25,24,11,17,12,9,16,14,2/rA:25nCOCCCCCCOCNNCOCONCCCCCCClBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13BrClN3O4 |
All Atoms: | 38 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.26159 |
Area: | 569.084 |
Solvation: | -4.96551 |
Coulombic: | -67.5777 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 426.649 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 3.95 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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